1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide

C21H26N4O2 — CID 42865475

IUPAC1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NCc2cccnc2)CC(c2ccccc2)C1
InChIInChI=1S/C21H26N4O2/c1-2-23-21(27)25-14-18(17-8-4-3-5-9-17)11-19(15-25)20(26)24-13-16-7-6-10-22-12-16/h3-10,12,18-19H,2,11,13-15H2,1H3,(H,23,27)(H,24,26)
InChIKeySUVLCBAHOMOAQH-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.53
Rot. Bonds5

About 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide

1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 42865475) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID42865475
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NCc2cccnc2)CC(c2ccccc2)C1
InChIInChI=1S/C21H26N4O2/c1-2-23-21(27)25-14-18(17-8-4-3-5-9-17)11-19(15-25)20(26)24-13-16-7-6-10-22-12-16/h3-10,12,18-19H,2,11,13-15H2,1H3,(H,23,27)(H,24,26)
InChIKeySUVLCBAHOMOAQH-UHFFFAOYSA-N
XLogP2.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92995377
3-N-cyclopropyl-1-N-ethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865415
3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
CID 46065367
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
(3S,5R)-1-(2-phenylacetyl)-5-(pyridin-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 56906230
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
CID 46065319
(3R,5R)-1-(cyclopentanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92996862

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide (CID 42865475) is 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)NCc2cccnc2)CC(c2ccccc2)C1.
What is the InChIKey of 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is SUVLCBAHOMOAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-23-21(27)25-14-18(17-8-4-3-5-9-17)11-19(15-25)20(26)24-13-16-7-6-10-22-12-16/h3-10,12,18-19H,2,11,13-15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 42865475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).